Compare #828 — BiometalDB

{"P": 2, "N": 1}

Ground Truth

0.333

Single-lig

0.000

Sequential

-0.333

Δ Sequential

Single-ligand (v1) — 234 candidates

Pred: {"P": 1}

#2 [Ru+2]<-[P](c1ccccc1)(c1ccccc1)N(C1CCCCC1)P(c1ccccc1)c1ccccc1 0.005

#3 c1ccc(P(c2ccccc2)N(C2CCCCC2)P(c2ccccc2)c2cc[cH]3->[Ru+2]<-[cH]3c2)cc1 0.000

#4 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000

#5 c1ccc(P(c2ccccc2)N(C2CCCCC2)P(c2ccccc2)c2ccc[cH]3->[Ru+2]<-[cH]23)cc1 0.000

#6 c1ccc(P(c2ccccc2)N(C2CCCCC2)P(c2ccccc2)c2cc[cH]3->[Ru+]4<-[cH]2[cH]->43)cc1 0.000

#7 C1=C[CH]2[Ru+2][CH]2C(P(c2ccccc2)N(C2CCCCC2)P(c2ccccc2)c2ccccc2)=C1 0.000

#8 c1ccc(P(c2ccccc2)N(C2CCCCC2)P(c2ccccc2)c2c[cH]3->[Ru+2]45<-[cH]2[cH]->4[cH]->53)... 0.000

#9 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(P(c4ccccc4)N(C4CCCCC4)P(c4ccccc4)c4ccccc4... 0.000

#10 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccccc3P(c3ccccc3)N(C3CCCCC3)P(c3ccccc3)c3ccccc... 0.000

#11 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(P(c4ccccc4)N(C4CCCCC4)P(c4ccccc4)c4ccccc4)... 0.000

#12 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cccc(P(c4ccccc4)N(C4CCCCC4)P(c4ccccc4)c4ccccc4... 0.000

#13 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(P(c3ccccc3)N(C3CCCCC3)P(c3ccccc3)c3ccccc3... 0.000

#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cccc(P(c3ccccc3)N(C3CCCCC3)P(c3ccccc3)c3ccccc... 0.000

#15 c1ccc(P(c2ccccc2)N(C2CCCCC2)P2c3ccc[cH](->[Ru+2]4<-[cH]5ccc2c[cH]->45)c3)cc1 0.000

#16 c1ccc(P2c3ccc[cH](->[Ru+2]4<-[cH]5cccc(P(c6ccccc6)N2C2CCCCC2)[cH]->45)c3)cc1 0.000

#17 c1ccc(P(c2ccccc2)N(C2CCCCC2)P2c3cc[cH]4->[Ru+2](<-[cH]5ccccc52)<-[cH]4c3)cc1 0.000

#18 c1ccc(P2c3cc[cH](->[Ru+2]4<-[cH]5ccc(P(c6ccccc6)N2C2CCCCC2)c[cH]->45)cc3)cc1 0.000

#19 c1ccc(P(c2ccccc2)N(C2CCCCC2)P2c3cc[cH](->[Ru+2]4<-[cH]5ccc2c[cH]->45)cc3)cc1 0.000

#20 c1ccc(P2c3cccc[cH]3->[Ru+2]3<-[cH]4cccc(P(c5ccccc5)N2C2CCCCC2)[cH]->34)cc1 0.000

#21 c1ccc(P2c3cc[cH](->[Ru+2]4<-[cH]5cccc(P(c6ccccc6)N2C2CCCCC2)[cH]->45)cc3)cc1 0.000

#22 c1ccc(P(c2ccccc2)N(C2CCCCC2)P2c3cc[cH](->[Ru+2]4<-[cH]5cccc2[cH]->45)cc3)cc1 0.000

#23 C1=C[CH]2[CH]3C(=C1)P(N(C1CCCCC1)P(c1ccccc1)c1ccccc1)C1=CC=C[CH]4[CH]1[Ru+2]243 0.000

#24 C1=C[CH]2[CH]3C=C1P(N(C1CCCCC1)P(c1ccccc1)c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+2]234 0.000

#25 C1=C[CH]2[CH]3C(=C1)P(N(C1CCCCC1)P(c1ccccc1)c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+2]42... 0.000

#26 C1=C[CH]2[CH]3C=C1P(c1ccccc1)N(C1CCCCC1)P(c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+2]234 0.000

#27 C1=C[CH]2[CH]3C(=C1)P(c1ccccc1)N(C1CCCCC1)P(c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+2]42... 0.000

Sequential multi-lig (v2) — 234 candidates